tert-butyl {3-[7-({[(4-acetylphenyl)amino] carbonyl}amino)-3-(4-cyanophenyl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]propyl}carbamate
Basic information
- Standard SMILES
CC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(CCCNC(=O)OC(C)(C)C)C(c2ccc(C#N)cc2)C3)cc1- InChIKey
OZEQEMNRNYNBNK-UHFFFAOYSA-N- Molecular formula
- C33H35N5O5
- Average molar mass
- 581.7 g/mol
- Monoisotopic mass
- 581.26381923
Names & identifiers
- Preferred name
- tert-butyl {3-[7-({[(4-acetylphenyl)amino] carbonyl}amino)-3-(4-cyanophenyl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]propyl}carbamate
- IUPAC
- tert-butyl N-[3-[7-[(4-acetylphenyl)carbamoylamino]-3-(4-cyanophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]propyl]carbamate
Names & synonyms
OZEQEMNRNYNBNK-UHFFFAOYSA-Ntert-butyl {3-[7-({[(4-acetylphenyl)amino] carbonyl}amino)-3-(4-cyanophenyl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]propyl}carbamatetert-butyl {3-[7-({[(4-acetylphenyl)amino]carbonyl}amino)-3-(4-cyanophenyl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]propyl}carbamate
Database identifiers
- PubChem CID
- 86669321
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
3 records
Compound notes
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